4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[4-(2-methoxy-5-methyl-benzyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c1-16(2)23-32(29,30)19-6-7-20(21(14-19)26(27)28)25-11-9-24(10-12-25)15-18-13-17(3)5-8-22(18)31-4/h5-8,13-14,16,23H,9-12,15H2,1-4H3